CHEBI:108689 - N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide
ChEBI ID CHEBI:108689
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H42Cl2N4O4
Net Charge 0
Average Mass 593.586
Monoisotopic Mass 592.25831
InChI InChI=1S/C30H42Cl2N4O4/c1-20-16-36(21(2)19-37)30(39)15-23-14-24(33-29(38)7-6-12-34(3)4)9-11-27(23)40-28(20)18-35(5)17-22-8-10-25(31)26(32)13-22/h8-11,13-14,20-21,28,37H,6-7,12,15-19H2,1-5H3,(H,33,38)/t20-,21+,28+/m0/s1
InChIKey VXWQLHDADGJUOT-BALWLHIASA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide (CHEBI:108689) is a dichlorobenzene (CHEBI:23697)
Manual Xref Database
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